4-(4-fluorophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C24H17FN4O3 — CID 135620930

About 4-(4-fluorophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

4-(4-fluorophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135620930) has the molecular formula C24H17FN4O3 and a molecular weight of 428.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

• Compound Name: 4-(4-fluorophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• PubChem CID: 135620930
• Molecular Formula: C24H17FN4O3
• Molecular Weight: 428.42 g/mol
• Exact Mass: 428.13
• IUPAC Name: 4-(4-fluorophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• SMILES: O=C1CC(c2ccc(F)cc2)c2c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c2N1
• InChI: InChI=1S/C24H17FN4O3/c25-17-8-6-15(7-9-17)20-14-21(30)26-24-22(20)23(16-4-2-1-3-5-16)27-28(24)18-10-12-19(13-11-18)29(31)32/h1-13,20H,14H2,(H,26,30)
• InChIKey: CKXXJFXDCOCYDN-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 90.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.42
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The IUPAC name of 4-(4-fluorophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135620930) is 4-(4-fluorophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

What is the SMILES notation for 4-(4-fluorophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The canonical SMILES for 4-(4-fluorophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is O=C1CC(c2ccc(F)cc2)c2c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c2N1.

What is the InChIKey of 4-(4-fluorophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The InChIKey is CKXXJFXDCOCYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O3/c25-17-8-6-15(7-9-17)20-14-21(30)26-24-22(20)23(16-4-2-1-3-5-16)27-28(24)18-10-12-19(13-11-18)29(31)32/h1-13,20H,14H2,(H,26,30).

What are the key properties of 4-(4-fluorophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

4-(4-fluorophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 428.42 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-fluorophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135620930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).